SCHEMBL4986154

SCHEMBL4986154

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.41
KMT2A Q03164 3/20 0.39
AKR1C3 P42330 1/20 0.37
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
SCN9A Q15858 1/20 0.35
TSHR P16473 1/20 0.35
P2RX7 Q99572 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4985626 0.92 LIPE (0.39) EPHX2CA12CA9SCN9ATSHR
SCHEMBL4983105 0.90 P2RX7 (0.46) EPHX2KMT2AAKR1C3MEN1P2RX7
SCHEMBL14272381 0.89 TSHR (0.47) EPHX2KMT2AAKR1C3MEN1CA9
SCHEMBL4982862 0.89 L3MBTL1 (0.43) EPHX2KMT2AMEN1TSHR
SCHEMBL13532329 0.88 KDM2B (0.36) EPHX2AKR1C3SCN9A
SCHEMBL4991004 0.88 KMT2A (0.42) EPHX2KMT2AMEN1CA12CA9
SCHEMBL5014908 0.87 KMT2A (0.43) EPHX2KMT2AMEN1CA12CA9
SCHEMBL4986688 0.86 P2RX7 (0.42) EPHX2KMT2AMEN1P2RX7
SCHEMBL4982810 0.86 P2RX7 (0.47) KMT2AMEN1CA12CA9TSHR
SCHEMBL4983714 0.84 CA12 (0.41) KMT2ACA12CA9TSHRP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 EPHX2 437/4885KMT2A 3134/4885AKR1C3 3138/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 EPHX2 569/4885KMT2A 4614/4885AKR1C3 1419/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.